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The frictional and wear performance of molybdenum disulfide (MoS2) is significantly influenced by its intrinsic arrangement of crystals or crystallinity. In this study, we investigate the effect of crystallinty on coefficient of friction…

Materials Science · Physics 2025-06-03 Abhiram B R , Ilia Ponomarev , Tomas Polcar

We investigate the nanoscale friction behaviour of MX2 monolayers (M = Mo, W; X = S, Se) on Au(111) and Ag(111) substrates with a silicon tip using classical molecular dynamics simulations with machine-learning-based force fields. This…

Materials Science · Physics 2026-04-09 Suresh Ravisankar , Ravikant Kumar , Antonio Cammarata , Thilo Glatzel , Tomas Polcar

Transition-metal dichalcogenides (TMDs) are valuable as solid lubricants because of their layered structure, which allows for easy shearing along the basal planes. Using Density Functional Theory (DFT) we conducted a first-principles study…

Silicene is an intriguing silicon allotrope with a honeycomb lattice structure similar to graphene with slightly buckled geometry. Molybdenum disulfide (MoS2), on the other hand, is a significant 2D transition metal dichalcogenide that has…

Materials Science · Physics 2024-06-18 Bishwajit Kar , Plabon Paul , Md Arshadur Rahman , Mohammad Jane Alam Khan

Colloidal probe Atomic Force Microscopy (AFM) allows to explore sliding friction phenomena in graphite contacts of nominal lateral size up to hundreds of nanometers. It is known that contact formation involves tribo-induced material…

Mesoscale and Nanoscale Physics · Physics 2024-01-12 Renato Buzio , Andrea Gerbi , Cristina Bernini , Luca Repetto , Andrea Vanossi

Two-dimensional (2D) materials are envisaged as ultra-thin solid lubricants for nano-mechanical systems. So far, their frictional properties at the nanoscale have been studied by standard friction force microscopy. However, lateral…

Mesoscale and Nanoscale Physics · Physics 2018-10-02 Borislav Vasić , Igor Stanković , Aleksandar Matković , Markus Kratzer , Christian Ganser , Radoš Gajić , Christian Teichert

Recently emerged layered transition metal dichalcogenides have attracted great interest due to their intriguing fundamental physical properties and potential applications in optoelectronics. Using scattering-type scanning near-field optical…

Mesoscale and Nanoscale Physics · Physics 2018-10-04 Viktoriia E. Babicheva , Sampath Gamage , Lee Zhen , Stephen B. Cronin , Vladislav S. Yakovlev , Yohannes Abate

Slip avalanches are ubiquitous phenomena occurring in 3D materials under shear strain and their study contributes immensely to our understanding of plastic deformation, fragmentation, and earthquakes. So far, little is known about the role…

Mesoscale and Nanoscale Physics · Physics 2023-06-23 Jing Liang , Dongyang Yang , Yunhuan Xiao , Sean Chen , Jerry I. Dadap , Joerg Rottler , Ziliang Ye

We determined frictional figures of merit for a pair of layered honeycomb nanostructures, such as graphane, fluorographene, MoS$_2$ and WO$_2$ moving over each other, by carrying out ab-initio calculations of interlayer interaction under…

Mesoscale and Nanoscale Physics · Physics 2014-08-05 S. Cahangirov , C. Ataca , M. Topsakal , H. Sahin , S. Ciraci

The microscopic process of oxidative etching of two-dimensional molybdenum disulfide (2D MoS2) at an atomic scale is investigated using a correlative TEM-etching study. MoS2 flakes on graphene TEM grids are precisely tracked and…

Materials Science · Physics 2018-11-13 Danhui Lv , Hulian Wang , Dancheng Zhu , Jie Lin , Guoli Yin , Fang Lin , Ze Zhang , Chuanhong Jin

Molybdenum disulfide (MoS$_2$) is a high-potential material for nanoelectronic applications, especially when thinned to a few layers. Liquid phase exfoliation enables large-scale fabrication of thin films comprising single- and few-layer…

Materials Science · Physics 2024-11-19 Alireza Ghasemifard , Agnieszka Kuc , Thomas Heine

A correlation is established between the macro-scale friction regimes of metals and a transition between two dominant atomistic mechanisms of deformation. Metals tend to exhibit bi-stable friction behavior -- low and converging or high and…

Materials Science · Physics 2018-05-23 Nicolas Argibay , Michael E. Chandross , Shengfeng Cheng , Joseph R. Michael

We use molecular dynamics simulations to study the frictional response of the anionic surfactant sodium dodecyl sulfate (SDS) monolayers and hemicylindrical aggregates physisorbed on gold. Our simulations of a sliding spherical asperity…

Soft Condensed Matter · Physics 2023-08-01 Johannes L. Hörmann , Chenxu Liu , Yonggang Meng , Lars Pastewka

A macroscopically nominal flat surface is rough at the nanoscale level and consists of nanoasperities. Therefore, the frictional properties of the macroscale-level rough surface are determined by the mechanical behaviors of nanoasperity…

Mesoscale and Nanoscale Physics · Physics 2020-11-05 jianqiao Hu , Hengxu Song , Stefan Sandfeld , Xiaoming Liu , Yueguang Wei

Molybdenum disulfide (MoS2) of single and few-layer thickness was exfoliated on SiO2/Si substrate and characterized by Raman spectroscopy. The number of S-Mo-S layers of the samples was independently determined by contact-mode atomic-force…

Materials Science · Physics 2010-11-16 Changgu Lee , Hugen Yan , Louis E. Brus , Tony F. Heinz , James Hone , Sunmin Ryu

Molybdenum disulfide (MoS$_2$) is a promising material for making two-dimensional crystals and flexible electronic and optoelectronic devices at the nanoscale. MoS$_2$ flakes can show high mobilities and have even been integrated in…

Materials Science · Physics 2015-06-15 Mohamed Boukhicha , Matteo Calandra , Marie-Aude Measson , Ophelie Lancry , Abhay Shukla

The wear behavior of two amorphous and polycrystalline forms of MoS2 prepared by magnetron sputtering has been characterized in a combined nanoindentation and atomic force microscopy study. From the analysis of the depth and width of wear…

Materials Science · Physics 2025-08-27 Hesam Khaksar , Prashant Mittal , Nabil Daghbouj , Grzegorz Cios , Tomas Polcar , Enrico Gnecco

Friction between ordered, atomically smooth surfaces at the nanoscale (nanofriction) is often governed by stick-slip processes. To test long-standing atomistic models of such processes, we implement a synthetic nanofriction interface…

Atomic Physics · Physics 2015-06-10 Alexei Bylinskii , Dorian Gangloff , Vladan Vuletic

Theory predicts that two-dimensional (2D) materials may only exist in the presence of out-ofplane deformations on atomic length scales, frequently referred to as ripples. While such ripples can be detected via electron microscopy, their…

Applied Physics · Physics 2020-09-15 Omur E. Dagdeviren , Ogulcan Acikgoz , Peter Grutter , Mehmet Z. Baykara

The van der Waals coefficients and the separation dependent retardation functions of the interactions between the atomically thin films of the multi-layered transition metal molybdenum disulfide (MoS$_2$) dichalcogenides with the alkali…

Materials Science · Physics 2020-08-12 Shankar Dutt , Sukhjit Singh , A. Mahajan , Bindiya Arora , B. K. Sahoo
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